SCHEMBL6177033

SCHEMBL6177033

COC(=O)c1cc(Cl)c(N)n2cc(C(C)C)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KCNH2 Q12809 1/20 0.42
HTR3A P46098 1/20 0.41
HTR4 Q13639 1/20 0.41
NQO2 P16083 6/20 0.38
ABL1 P00519 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.34
TP53 P04637 1/20 0.33
PDE4B Q07343 1/20 0.33
ADCY10 Q96PN6 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6178061 0.86 KCNH2 (0.41) GAAKCNH2HTR3AHTR4KDM4E
SCHEMBL5889428 0.83 HTR3A (0.55) GAAKCNH2HTR3AHTR4NQO2
SCHEMBL5889440 0.80 GAA (0.44) GAAKCNH2HTR3AHTR4NQO2
SCHEMBL6179337 0.79 GAA (0.43) GAAKCNH2HTR3AHTR4NQO2
SCHEMBL6178418 0.77 ALDH1A1 (0.45) GAAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6179085 0.74 GAA (0.48) GAANQO2ABL1KDM4EALDH1A1
SCHEMBL6176173 0.73 HTR3A (0.47) GAAKCNH2HTR3AHTR4NQO2
SCHEMBL6762031 0.71 BAZ2B (0.45) GAAKCNH2HTR3AHTR4HTT
SCHEMBL5889550 0.68 HTR3A (0.56) KCNH2HTR3AHTR4KDM4EALDH1A1
SCHEMBL5748537 0.66 GAA (0.54) GAANQO2ABL1KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440071-B1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS PFIZER (US) 2005-10-26 EP disclosed
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators UCHIDA CHIKARA (JP) 2004-02-19 US disclosed
US-6624162-B2 5-HT4 receptor binding activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, Functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans. PFIZER INC. 2003-09-23 US disclosed
US-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. 2003-05-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 GAA 3781/4885KCNH2 962/4885HTR3A 28/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 GAA 3701/4885KCNH2 895/4885HTR3A 27/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.